[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane

C18H35BrSn — CID 15675034

IUPAC[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane
SMILESCCCC[Sn](/C=C/C=C(\C)CBr)(CCCC)CCCC
InChIInChI=1S/C6H8Br.3C4H9.Sn/c1-3-4-6(2)5-7;3*1-3-4-2;/h1,3-4H,5H2,2H3;3*1,3-4H2,2H3;/b3-1?,6-4+;;;;
InChIKeyFNRLQHZHICVNIU-JFMQTAQSSA-N
MW450.09 g/mol
LogP7.27
Rot. Bonds12

About [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane

[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane (PubChem CID 15675034) has the molecular formula C18H35BrSn and a molecular weight of 450.09 g/mol. Its IUPAC name is [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane.

Molecular Properties

Compound Name[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane
PubChem CID15675034
Molecular FormulaC18H35BrSn
Molecular Weight450.09 g/mol
Exact Mass450.09
IUPAC Name[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane
SMILESCCCC[Sn](/C=C/C=C(\C)CBr)(CCCC)CCCC
InChIInChI=1S/C6H8Br.3C4H9.Sn/c1-3-4-6(2)5-7;3*1-3-4-2;/h1,3-4H,5H2,2H3;3*1,3-4H2,2H3;/b3-1?,6-4+;;;;
InChIKeyFNRLQHZHICVNIU-JFMQTAQSSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.09
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-tributylstannylpenta-2,4-dien-1-ol
CID 71342873
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
(2Z,4E)-5-tributylstannylpenta-2,4-dien-1-ol
CID 172715105
tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane
CID 50993250
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038
tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
CID 11257245
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692
(E)-3-tributylstannylprop-2-en-1-amine
CID 45040600
(2Z,4E)-3-methyl-5-tributylstannylpenta-2,4-dienoic acid
CID 11050736
(E)-4-tributylstannylbut-3-enoic acid
CID 11767530
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
CID 19785799
tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane
CID 71358263

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane?
The IUPAC name of [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane (CID 15675034) is [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane.
What is the SMILES notation for [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane?
The canonical SMILES for [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane is CCCC[Sn](/C=C/C=C(\C)CBr)(CCCC)CCCC.
What is the InChIKey of [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane?
The InChIKey is FNRLQHZHICVNIU-JFMQTAQSSA-N. The full InChI is InChI=1S/C6H8Br.3C4H9.Sn/c1-3-4-6(2)5-7;3*1-3-4-2;/h1,3-4H,5H2,2H3;3*1,3-4H2,2H3;/b3-1?,6-4+;;;;.
What are the key properties of [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane?
[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane has a molecular weight of 450.09 g/mol, XLogP of 7.27, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane is sourced from PubChem (CID 15675034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).